(5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

C27H33FN6O2 — CID 90360735

About (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

(5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (PubChem CID 90360735) has the molecular formula C27H33FN6O2 and a molecular weight of 492.60 g/mol. Its IUPAC name is (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
• PubChem CID: 90360735
• Molecular Formula: C27H33FN6O2
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.26
• IUPAC Name: (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
• SMILES: CC1CCc2nc(N3CCC(C)(c4nc5cc(F)ccc5o4)CC3)nc(N[C@H]3CCC(=O)N(C)C3)c21
• InChI: InChI=1S/C27H33FN6O2/c1-16-4-7-19-23(16)24(29-18-6-9-22(35)33(3)15-18)32-26(31-19)34-12-10-27(2,11-13-34)25-30-20-14-17(28)5-8-21(20)36-25/h5,8,14,16,18H,4,6-7,9-13,15H2,1-3H3,(H,29,31,32)/t16?,18-/m0/s1
• InChIKey: SSMPRPNFUSLHQE-DAFXYXGESA-N
• XLogP: 4.40
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The IUPAC name of (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (CID 90360735) is (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

What is the SMILES notation for (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The canonical SMILES for (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is CC1CCc2nc(N3CCC(C)(c4nc5cc(F)ccc5o4)CC3)nc(N[C@H]3CCC(=O)N(C)C3)c21.

What is the InChIKey of (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

The InChIKey is SSMPRPNFUSLHQE-DAFXYXGESA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-16-4-7-19-23(16)24(29-18-6-9-22(35)33(3)15-18)32-26(31-19)34-12-10-27(2,11-13-34)25-30-20-14-17(28)5-8-21(20)36-25/h5,8,14,16,18H,4,6-7,9-13,15H2,1-3H3,(H,29,31,32)/t16?,18-/m0/s1.

What are the key properties of (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?

(5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 492.60 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)-4-methylpiperidin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 90360735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).